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Chemistry, part 1

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Concept information

... > organooxygen compound > ester > carboxylic ester > dicarboxylic acid monoester > hemisuccinate > 4-[[(3s,10r,13s,17s)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acid
... > organooxygen compound > carbonyl compound > carboxylic ester > dicarboxylic acid monoester > hemisuccinate > 4-[[(3s,10r,13s,17s)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acid
... > organooxygen compound > carbonyl compound > carboxylic acid > dicarboxylic acid monoester > hemisuccinate > 4-[[(3s,10r,13s,17s)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acid
... > organooxygen compound > carbon oxoacid > carboxylic acid > dicarboxylic acid monoester > hemisuccinate > 4-[[(3s,10r,13s,17s)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acid
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > dicarboxylic acid monoester > hemisuccinate > 4-[[(3s,10r,13s,17s)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acid
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > dicarboxylic acid monoester > hemisuccinate > 4-[[(3s,10r,13s,17s)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acid

Preferred term

4-[[(3s,10r,13s,17s)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acid  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C25H36O5

inchi

  • InChI=1S/C25H36O5/c1-15(26)19-6-7-20-18-5-4-16-14-17(30-23(29)9-8-22(27)28)10-12-24(16,2)21(18)11-13-25(19,20)3/h4,17-21H,5-14H2,1-3H3,(H,27,28)/t17-,18?,19+,20?,21?,24-,25+/m0/s1

inchikey

  • OZZAYJQNMKMUSD-NNEZGNMOSA-N

mass

  • 416.551

monoisotopicmass

  • 416.25627

smiles

  • CC(=O)[C@H]1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)CCC(=O)O)C)C

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:91651

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